N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide

C12H21N3OS — CID 141330976

IUPACN-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCN1C=CC=C(C(=O)NCCN(C)C)C1S
InChIInChI=1S/C12H21N3OS/c1-4-15-8-5-6-10(12(15)17)11(16)13-7-9-14(2)3/h5-6,8,12,17H,4,7,9H2,1-3H3,(H,13,16)
InChIKeyUNQGVZNUIRNTLC-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.70
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330976) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330976
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCN1C=CC=C(C(=O)NCCN(C)C)C1S
InChIInChI=1S/C12H21N3OS/c1-4-15-8-5-6-10(12(15)17)11(16)13-7-9-14(2)3/h5-6,8,12,17H,4,7,9H2,1-3H3,(H,13,16)
InChIKeyUNQGVZNUIRNTLC-UHFFFAOYSA-N
XLogP0.70
TPSA35.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 177679819
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
3-[4-(3-sulfanylpropanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 177680938
N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502198
N,N-Diethyl-1,2-dihydro-2-thioxo-3-pyridinecarboxamide
CID 19808177
2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide
CID 58957141
3-Methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 63172679
1-[3-(Ethylamino)propyl]-2-oxopyridine-3-carboxamide
CID 69735874
1-[2-(Tert-butylamino)ethyl]-2-oxopyridine-3-carboxamide
CID 69735876
1-[2-(Ethylamino)ethyl]-2-oxopyridine-3-carboxamide
CID 69736481
2-Oxo-1-[2-(propylamino)ethyl]pyridine-3-carboxamide
CID 69736675

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330976) is N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide is CCN1C=CC=C(C(=O)NCCN(C)C)C1S.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is UNQGVZNUIRNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-15-8-5-6-10(12(15)17)11(16)13-7-9-14(2)3/h5-6,8,12,17H,4,7,9H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).